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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50120178'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-K receptor


(Homo sapiens (Human))		BDBM50120178
PNG
(2-[Bis-(4-benzyl-piperidin-1-yl)-amino]-1-[4-(3,5-...)
Show SMILES FC(F)(F)c1cc(CN2CCN(C(C2)c2ccccc2)C(=O)CN(N2CCC(Cc3ccccc3)CC2)N2CCC(Cc3ccccc3)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C45H51F6N5O/c46-44(47,48)40-28-38(29-41(30-40)45(49,50)51)31-52-24-25-55(42(32-52)39-14-8-3-9-15-39)43(57)33-56(53-20-16-36(17-21-53)26-34-10-4-1-5-11-34)54-22-18-37(19-23-54)27-35-12-6-2-7-13-35/h1-15,28-30,36-37,42H,16-27,31-33H2
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]-NKA as the radioligand.

Bioorg Med Chem Lett 12: 3161-5 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z7C
More data for this
Ligand-Target Pair